N-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide

C23H30FN5O5 — CID 55731977

IUPACN-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C23H30FN5O5/c24-17-5-4-16(14-18(17)26-19(30)6-9-28-10-12-34-13-11-28)25-20(31)15-29-21(32)23(27-22(29)33)7-2-1-3-8-23/h4-5,14H,1-3,6-13,15H2,(H,25,31)(H,26,30)(H,27,33)
InChIKeyNGVVRLDZJATILL-UHFFFAOYSA-N
MW475.52 g/mol
LogP1.68
Rot. Bonds7

About N-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide

N-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide (PubChem CID 55731977) has the molecular formula C23H30FN5O5 and a molecular weight of 475.52 g/mol. Its IUPAC name is N-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide
PubChem CID55731977
Molecular FormulaC23H30FN5O5
Molecular Weight475.52 g/mol
Exact Mass475.22
IUPAC NameN-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C23H30FN5O5/c24-17-5-4-16(14-18(17)26-19(30)6-9-28-10-12-34-13-11-28)25-20(31)15-29-21(32)23(27-22(29)33)7-2-1-3-8-23/h4-5,14H,1-3,6-13,15H2,(H,25,31)(H,26,30)(H,27,33)
InChIKeyNGVVRLDZJATILL-UHFFFAOYSA-N
XLogP1.68
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
CID 119849282
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2583508
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide
CID 55899568
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701850
N-(3,5-difluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 46665812
N-(3,4-difluorophenyl)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]acetamide
CID 9401939
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2441581
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
CID 55964556
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide
CID 119849290
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16544867
N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701816
2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide
CID 60530456

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide (CID 55731977) is N-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide is O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1.
What is the InChIKey of N-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide?
The InChIKey is NGVVRLDZJATILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O5/c24-17-5-4-16(14-18(17)26-19(30)6-9-28-10-12-34-13-11-28)25-20(31)15-29-21(32)23(27-22(29)33)7-2-1-3-8-23/h4-5,14H,1-3,6-13,15H2,(H,25,31)(H,26,30)(H,27,33).
What are the key properties of N-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide?
N-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide has a molecular weight of 475.52 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 55731977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).